NeuroDrug Design

 

MSCS Key Lab Home | NeuroDrug Design Home | Bioinformatics and Computational biology tools



·      An online PDB file viewer: click here

·      An online DNA structure generator (based on NAB): click here, input DNA sequence, output pdb.

·      Calculate affinity and free energy of ligand-protein complex using MMPBSA and MMGBSA using machine learning forcefield. online soon

·      Online tool to add missing residues to pdb file: Unavailable due to licensing issue

·      Online tool to make mutations to protein: Unavailable due to licensing issue

·      Online automation to the create tpr format files for Gromacs simulation:

These automated tools are provided on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied, including, without limitation, any warranties or conditions of TITLE, NON-INFRINGEMENT, MERCHANTABILITY, or FITNESS FOR A PARTICULAR PURPOSE. You are solely responsible for determining the appropriateness of the results of provided by these tools.

We provide academic related support, manually modelling, ligand and protein docking, and multiscale biomolecule simulation service. Please contact us for details.



Copyright © 2020, by the Key Laboratory for Multiscale Simulation for Complex System, VNU University of Science.